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Name: Alex M.
Type: User
Company: RISE AB, Södertälje as well as private
Bio: Chemist, Data-Scientist.
Location: Stockholm, Sweden
Alex M.'s Projects
aizynthfinder-deploy
modify original aizynthfinder code for end-user
bengal-ai-classifier
A simple AI classifier based on fastai, deployable as web app when used via Voila / Mybinder.org
chem-rdf-fixer
Fix for erroneous chemical reaction RDF files, as well as conversion to csv
chemdash
Proof of Concept for web based chemistry GUI to work with small molecules
dunceoncrawl
Following "hands-on Rust, game development...." Herbert Wolverson
excercisedb
explore-z-wasteland
A new doomsday survival style strategy game in prototyping stage
fileencryption
A simple POC for testing encyption/decryption of files
flappy
hello-world
Hello World Git Tutorial
ml-pka
molecules-genetic-algorithm
Code in Jupyter format fromt he blog site of Esben Bjerrum.
molgpka
The graph-convolutional neural network for pka prediction
psi4_rdkit
Quant Chem python scripts using PSI4 and RdKit
rxntransformdescriptors
Python code for reaction transform descriptors (TDs)
slahjsrl
yield_curation_uspto
short scripts to curate the somewhat messy text based yield columns in the available curated UPTSO rsmi/csv files.
zelda
Files for the Zelda in python tutorial
zikapubchem
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